CID 9570294

(ethanediylidenebis(nitrilooxyethylene))bis(trimethylammonium) diiodide

Structural Information

Molecular Formula
C12H28N4O2
SMILES
C[N+](CCO/N=C/C=N/OCC[N+](C)(C)C)(C)C
InChI
InChI=1S/C12H28N4O2/c1-15(2,3)9-11-17-13-7-8-14-18-12-10-16(4,5)6/h7-8H,9-12H2,1-6H3/q+2/b13-7+,14-8+
InChIKey
GRRZSTBGYCWZJM-FNCQTZNRSA-N
Compound name
trimethyl-[2-[(E)-[(2E)-2-[2-(trimethylazaniumyl)ethoxyimino]ethylidene]amino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.22122 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22850 154.4
[M+Na]+ 283.21044 158.7
[M-H]- 259.21394 160.0
[M+NH4]+ 278.25504 172.7
[M+K]+ 299.18438 149.8
[M+H-H2O]+ 243.21848 153.2
[M+HCOO]- 305.21942 182.7
[M+CH3COO]- 319.23507 203.8
[M+Na-2H]- 281.19589 168.4
[M]+ 260.22067 158.8
[M]- 260.22177 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.